2-[(3-chloranyl-5-methylsulfonyl-pyridin-2-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[(3-chloranyl-5-methylsulfonyl-pyridin-2-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(3-chloro-5-methylsulfonyl-2-pyridyl)-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[(3-chloro-5-methylsulfonyl-2-pyridinyl)-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[(3-chloro-5-methylsulfonylpyridin-2-yl)-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[(3-chloro-5-mesyl-2-pyridyl)-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C13H12ClNO5S MolecularWeight: 329.75608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(N=C1)C(=C2C(=O)CCCC2=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(N=C1)C(=C2C(=O)CCCC2=O)O)Cl

InChI

InChI=1S/C13H12ClNO5S/c1-21(19,20)7-5-8(14)12(15-6-7)13(18)11-9(16)3-2-4-10(11)17/h5-6,18H,2-4H2,1H3